SCHEMBL1801990

SCHEMBL1801990

COC(=O)C(I)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HSD17B10 Q99714 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 5/20 0.37
▸ CYP1A2 P05177 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ ERBB2 P04626 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAOA P21397 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8623920 0.82 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL5044101 0.81 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4236358 0.80 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL19951487 0.71 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL19034219 0.71 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL500318 0.71 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL4601413 0.71 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL30075378 0.71 MTNR1A (0.43) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL27913426 0.70 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EMAPTHSD17B10
SCHEMBL21969422 0.70 KMT2A (0.50) ALDH1A1HPGDKDM4EMAPTHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 125 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080138908-A1 Mass Spectrometry THE NOGUCHI INSTITUTE (JP) 2008-06-12 — — US claimed
EP-1335984-A1 DETERMINATION OF HYDROPHOBIC COENZYME A ESTERS AND OTHER LIPIDS USING A BIOSENSOR COMPRISING A MODIFIED COENZYME A- AND ACYL-COA BINDING PROTEIN (ACBP) Biosensor APS (DK) 2003-08-20 — — EP claimed
US-20020142347-A1 Biosensor BIOSENSOR APS (DK) 2002-10-03 — — US claimed
WO-2002061096-A1 DETERMINATION OF HYDROPHOBIC COENZYME A ESTERS AND OTHER LIPIDS USING A BIOSENS OR COMPRISING A MODIFIED COENZYME A- AND ACYL- BINDING PROTEIN (ACBP) BIOSENSOR APS (DK) 2002-08-08 — — WO claimed
EP-2752659-B1 MALDI MASS ANALYSIS METHOD THE NOGUCHI INST (JP) 2017-10-18 — — EP disclosed
US-20150276740-A1 METHOD FOR DETERMINING KINASE ACTIVITY SYSMEX CORPORATION (JP) 2015-10-01 — — US disclosed
EP-1646395-B1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY CURIS INC (US) 2014-11-05 — — EP disclosed
US-20140206094-A1 MALDI MASS SPECTROMETRY METHOD THE NOGUCHI INSTITUTE (JP) 2014-07-24 — — US disclosed
EP-2752659-A1 MALDI MASS ANALYSIS METHOD The Noguchi Institute (JP) 2014-07-09 — — EP disclosed
US-20120269863-A1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY CURIS, INC. (US) 2012-10-25 — — US disclosed
US-20120238500-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO CURIS, INC. (US) 2012-09-20 — — US disclosed
US-8168178-B2 Methods and compositions for regulating lymphocyte activity CURIS, INC. (US) 2012-05-01 — — US disclosed
EP-0368946-A1 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-23 — — EP disclosed
EP-0368946-A4 1,2-DIOXETANES. QUEST SYSTEMS INC (US) 1990-05-14 — — EP disclosed
WO-1990000168-A1 IMPROVED METHODS OF USING CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1990-01-11 — — WO disclosed
WO-1990000164-A1 NOVEL CHEMILUMINESCENT FUSED POLYCYCLIC RING-CONTAINING 1,2-DIOXETANES AND ASSAYS IN WHICH THEY ARE USED TROPIX, INC. (US) 1990-01-11 — — WO disclosed
EP-0275260-A4 METHOD OF DETECTING A SUBSTANCE USING ENZYMATICALLY-INDUCED DECOMPOSITION OF DIOXETANES. QUEST SYSTEMS INC (US) 1990-01-08 — — EP disclosed
WO-1989006226-A1 SYNTHESIS OF 1,2-DIOXETANES AND INTERMEDIATES THEREFOR QUEST SYSTEMS, INC. (US) 1989-07-13 — — WO disclosed
EP-0275260-A1 METHOD OF DETECTING A SUBSTANCE USING ENZYMATICALLY-INDUCED DECOMPOSITION OF DIOXETANES. QUEST SYSTEMS INC (US) 1988-07-27 — — EP disclosed
WO-1988000695-A1 METHOD OF DETECTING A SUBSTANCE USING ENZYMATICALLY-INDUCED DECOMPOSITION OF DIOXETANES QUEST SYSTEMS, INC. (US) 1988-01-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120238500-A1 REGULATION OF EPITHELIAL TISSUE BY HEDGEHOG-LIKE POLYPEPTIDES, AND FORMULATIONS AND USES RELATED THERETO SHH, SMO, GLI1 ALDH1A1 3638/4885HPGD 3205/4885KDM4E 4038/4885
US-20120269863-A1 METHODS AND COMPOSITIONS FOR REGULATING LYMPHOCYTE ACTIVITY SHH, ICOS, SMO ALDH1A1 4111/4885HPGD 1216/4885KDM4E 2194/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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